Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.43 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | GSPT1 | P15170 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | PRF1 | P14222 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14288682 | 0.86 | ALPL (0.47) | ALPLIDH1KMT2A | |
| SCHEMBL3977908 | 0.84 | KMT2A (0.48) | SLC40A1BRD4MRGPRX1PIK3CAIDH1 | |
| SCHEMBL532999 | 0.84 | TP53 (0.48) | SLC22A12BRD4MEN1ALDH1A1KMT2A | |
| SCHEMBL532980 | 0.83 | JAK2 (0.48) | SLC40A1BRD4JAK2TDP1KDM4E | |
| SCHEMBL532038 | 0.82 | ALDH1A1 (0.54) | SLC40A1BRD4JAK2TDP1KDM4E | |
| SCHEMBL5112344 | 0.80 | SLC40A1 (0.47) | SLC40A1DDB1CRBNPRF1KDM2B | |
| SCHEMBL534052 | 0.80 | MEN1 (0.47) | BRD4JAK2MAPTMEN1ALDH1A1 | |
| SCHEMBL532939 | 0.80 | EDNRA (0.43) | BRD4PIK3CAJAK2TDP1MAPT | |
| SCHEMBL533550 | 0.78 | HCRTR1 (0.47) | MAPTMEN1KMT2A | |
| SCHEMBL533083 | 0.78 | EDNRA (0.46) | JAK2MAPTALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2415760-A2 | CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2012-02-08 | — | — | EP | disclosed |
| EP-2415760-A2 | CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2012-02-08 | — | — | EP | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |